SCHEMBL418938

SCHEMBL418938

CC(C1CC1)N1CCc2nc3ccc(-c4ccc(CN)cc4)cc3n2CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 5/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
F10 P00742 1/20 0.33
METAP2 P50579 1/20 0.31
AAK1 Q2M2I8 2/20 0.31
TP53 P04637 3/20 0.30
MAT2A P31153 1/20 0.30
CYP2D6 P10635 2/20 0.30
CDK2 P24941 1/20 0.30
PRKCZ Q05513 1/20 0.30
MAP4K1 Q92918 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7886301 0.88 NOS3 (0.37) NOS3NOS1NOS2TP53
SCHEMBL422444 0.84 HRH4 (0.35)
SCHEMBL419043 0.81 MAPT (0.46) TP53
SCHEMBL419107 0.80 PTGS2 (0.37) METAP2
SCHEMBL417461 0.79 HTR3A (0.38)
SCHEMBL10176642 0.79 TP53 (0.39) TP53
SCHEMBL422443 0.78 MAPT (0.36) SPHK1NOS3NOS1NOS2F10
SCHEMBL422628 0.78 MAP4K1 (0.37) SPHK1NOS3NOS1NOS2CDK2
SCHEMBL10176643 0.75 TP53 (0.37) TP53
SCHEMBL422759 0.74 NOS3 (0.31) NOS3NOS1NOS2F10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
EP-2396327-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2011-12-21 EP disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
WO-2010093425-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-08-19 WO disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 SPHK1 624/4885NOS3 1768/4885NOS1 2772/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 SPHK1 624/4885NOS3 1768/4885NOS1 2772/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.